ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate

C14H23NO3 — CID 138755984

IUPACethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(N2CCOCC2)CC1
InChIInChI=1S/C14H23NO3/c1-3-18-13(16)14(2)6-4-12(5-7-14)15-8-10-17-11-9-15/h4H,3,5-11H2,1-2H3
InChIKeyVBLPSPRTRJFDQV-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.96
Rot. Bonds3

About ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate

ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate (PubChem CID 138755984) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
PubChem CID138755984
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(N2CCOCC2)CC1
InChIInChI=1S/C14H23NO3/c1-3-18-13(16)14(2)6-4-12(5-7-14)15-8-10-17-11-9-15/h4H,3,5-11H2,1-2H3
InChIKeyVBLPSPRTRJFDQV-UHFFFAOYSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate (CID 138755984) is ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate is CCOC(=O)C1(C)CC=C(N2CCOCC2)CC1.
What is the InChIKey of ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The InChIKey is VBLPSPRTRJFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-18-13(16)14(2)6-4-12(5-7-14)15-8-10-17-11-9-15/h4H,3,5-11H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 138755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).